A Molecular Bowl with Barium Ion As Bottom

A molecular bowl with barium ion covering one portal of decamethylcucurbit[5]uril as a‘metal-ion- bottom’has been synthesized. The structure of the molecular bowl has been confirmed by the single crystal X-ray diffraction determination. It belongs to orthorhombic with space group of Pna21. The crystal unit cell parameters are: a=3.2108(6) nm, b=1.4742(3) nm, c=1.1516(2) nm, and V=5.4509(18) nm3, Dc=1.677 Mg·m-3, Z=4, F(000)= 2832, R=0.0551, wR=0.1568. CCDC: 290552.国家自然科学基金资助项目(No.20362003);; 科技部国际科技合作重点项目计划(No.2003DF000030);; 贵州省省长资金项目;; 贵州省国际科技合作重点项目计划(No.2005400101)

Synthesis and Crystal Structure of a Novel Self-assembled1,4-dimethyl Cucurbituril Silver(I) Complex

Crystals of a new 1,4-dimethyl cucurbituril(TMeQ6) with Silver(I) ion were synthesized, and the structure was determined by X-ray diffraction technique. There are two kinds of TMeQ6 A and B which formed molecular encapsulates with two silver ion lids in the self-assembled entities. One dimensional supramolecular tubes are formed from the encapsulates A, and two dimensional molecular sieves are formed from the encapsulates B, the tubes and the sieves stack together alternately in the self-assembled entities. CCDC: 271401.国家自然科学基金资助项目(No.20362003);; 科技部国际科技合作重点项目计划(No.2003DF000030);; 贵州省省长资金项目;; 贵州省国际科技合作重点项目计划(No.2005400101

Study of the Interaction of Disubstituted Cucurbit[6]uril with 2-(Aminomethyl)pyridine

分别用核磁共振、紫外可见吸收和X射线单晶衍射方法研究对称四甲基六元瓜环与2-氨基甲基吡啶的相互作用及其结构特征.1HNMR谱图和紫外可见吸收光谱图清晰表明,2-氨基甲基吡啶与对称四甲基六元瓜环有明显的相互作用,客体2-氨基甲基吡啶的吡啶环部分进入了瓜环空腔,1HNMR谱图相关质子峰的积分强度以及客体吸光度随主体瓜环浓度变化明确表示它们之间形成了1∶1的包结配合物,此包结比并不随瓜环的浓度增加而改变.X射线单晶衍射法对包结配合物晶体的测定进一步证实了核磁共振、紫外可见吸收方法所得结论.Interaction and structure of a host-guest inclusion complex of symmetrical tetramethyl substi- tuted cucurbit[6]uril (TMeQ[6]) with 2-(aminomethyl)pyridine (amp) have been studied by using 1H NMR technique, UV-visible spectrophotometry and single crystal X-ray diffraction determination. The experimen- tal results from 1H NMR and UV-visible spectra revealed that the amp as a guest enters into the cavity of TMeQ[6] to form a host-guest inclusion complex of TMeQ[6] and amp with a constant ratio of 1∶1. The single crystal X-ray diffraction determination further confirmed the conclusions.国家自然科学基金(Nos.200261002,20362003);; 科技部国际科技合作重点计划(No.2003DF000030);; 贵州省省长资金;; 贵州省教育厅自然科学研究资助项目

A molecular bowl with barium ion as bottom

A molecular bowl with barium ion covering one portal of decamethylcucurbit[5]uril as a 'metal-ion-bottom' has been synthesized. The structure of the molecular bowl has been confirmed by the single crystal X-ray diffraction determination. It belongs to orthorhombic with space group of Pna2(1). The crystal unit cell parameters are: a=3.2108(6) nm, b=1.4742(3) nm, c=1.151 6(2) run, and V=5.4509(18) nm(3), D-c=1.677 Mg(.)m(3), Z=4, F(000)= 2832, R=0.0551, wR=0.1568

Investigation of Structures of the Self-assembled Pseudorotaxane of Cucurbiturils with Some Alkyldiamines

以1H核磁共振技术和X射线单晶衍射分析方法考察了 3种瓜环与长链二胺 ( 1,7 庚二胺与 1,8 辛二胺 )相互作用的结构特征 .1HNMR分析表明瓜环 (Q[6]和Q[7] )与有机二胺 ( 1,7 庚二胺与 1,8 辛二胺 )有较强的相互作用 ,形成自组装类轮烷结构 ;Q[8]与 1,7 庚二胺与 1,8 辛二胺之间相互作用力相对较弱 ;晶体结构测定结果表明 ,六元瓜环与辛二胺自组装形成的类轮烷实体中 ,辛二胺是以直链状穿过六元瓜环的空腔 ,两配位氨基留在瓜环两端口之外 .The structures of self-assembled pseudorotaxane of cucurbit[n]urils(n=6～8) with some alkyldiamines have been investigated by 1H NMR technique and single crystal X-ray diffraction method. The results reveal that the interaction between cucurbit[6]uril or cucurbit[7]uril and 1,7-diaminoheptane or 1,8-diaminooctane is stronger than that between cucurbit[8]uril and 1,7-diaminoheptane or 1,8-diaminooctane, and the pseudorotaxanes of cucurbit[n]urils with the alkyldiamines were observed. Particularly, in the pseudorotaxane of cucurbit[6]uril with 1,8-diaminooctane, the amino groups of 1,8-diaminooctane are left outside the ports of cucurbit[6]uril.国家自然科学基金(No.200261002);; 贵州省重点基金(No.20023004);; 贵州省国际合作(No.200211003)资助项目

Synthesis and crystal structure of a novel self-assembled 1,4-dimethyl cucurbituril Silver(I) complex

Crystals of a new 1,4-dimethyl cucurbituril (TMeQ [6]) with Silver(I) ion were synthesized, and the structure was determined by X-ray diffraction technique. There are two kinds of TMeQ[6] A and B which formed molecular encapsulates with two silver ion lids in the self-assembled entities. One dimensional supramolecular tubes are formed from the encapsulates A, and two dimensional molecular sieves are formed from the encapsulates B, the tubes and the sieves stack together alternately in the self-assembled entities

对称四取代六元瓜环的合成及其2,2-联吡啶主客体化合物

利用二甲基取代甘脲的二醚与甘脲二聚体成功合成了新型取代六元瓜环——对称四甲基六元瓜环. 该瓜环的结构已被晶体结构鉴定、核磁共振谱以及质谱方法所证实, 分子中所含两个二甲基取代甘脲处于对位. 1H NMR表明该瓜环容易与吡啶衍生物形成主客体配合物

Study of the interaction of disubstituted cucurbit[6]uril with 2-(aminomethyl)pyridine

Interaction and structure of a host-guest inclusion complex of symmetrical tetramethyl substituted cucurbit[6]uril (TMeQ[6]) with 2-(aminomethyl)pyridine (amp) have been studied by using H-1 NMR technique, UV-visible spectrophotometry and single crystal X-ray diffraction determination. The experimental results from H-1 NMR and UV-visible spectra revealed that the amp as a guest enters into the cavity of TMeQ[6] to form a host-guest inclusion complex of TMeQ[6] and amp with a constant ratio of 1:1. The single crystal X-ray diffraction determination further confirmed the conclusions

Synthesis and crystal structure of a novel self-assembled (1,4-discyclohexyl cucurbituril) sodium(I) complex

A novel complex of a new 1,4-dicyclohexyl cucurbituril(DCYQ[6]) with sodium(I) ion was synthesized, and the crystal structure was determined by X-ray diffraction technique. In this self-assembled entity both the cavity interaction of DCYQ[6] included a nitrate anion and the portal interaction of the dipole carbonyls of DCYQ [6] with sodium cations lead to form self assembled molecular capsules. The crystal structure of the entity shows a packing of the self assembled molecular capsules connected by hydrogen bonds of water molecules

Investigation of structures of the self-assembled pseudorotaxane of cucurbiturils with some alkyldiamines

The structures of self-assembled pseudorotaxane of cucurbit [n] urils ( n = 6 similar to 8) with some alkyldiamines have been investigated by H-1 NMR technique and single crystal X-ray diffraction method. The results reveal that the interaction between cucurbit[6]uril or cucurbit[7]uril and 1,7-diaminoheptane or 1,8-diaminooctane is stronger than that between cucurbit[ 8] uril and 1,7-diaminoheptane or 1, 8-diaminooctane, and the pseudorotaxanes of cucurbit[n] urils with the alkyldiamines were observed. Particularly, in the pseudorotaxane of cucurbit [6] uril with 1, 8-diaminooctane, the amino groups of 1, 8-diaminooctane are left outside the ports of cucurbit [6] uril